3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol

C14H17FO3S — CID 171961468

IUPAC3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
SMILESCOc1cccc(F)c1C1(O)CC2CCC(C1)S2=O
InChIInChI=1S/C14H17FO3S/c1-18-12-4-2-3-11(15)13(12)14(16)7-9-5-6-10(8-14)19(9)17/h2-4,9-10,16H,5-8H2,1H3
InChIKeyRCRIHMRNJAFOMZ-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.10
Rot. Bonds2

About 3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol

3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol (PubChem CID 171961468) has the molecular formula C14H17FO3S and a molecular weight of 284.35 g/mol. Its IUPAC name is 3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
PubChem CID171961468
Molecular FormulaC14H17FO3S
Molecular Weight284.35 g/mol
Exact Mass284.09
IUPAC Name3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
SMILESCOc1cccc(F)c1C1(O)CC2CCC(C1)S2=O
InChIInChI=1S/C14H17FO3S/c1-18-12-4-2-3-11(15)13(12)14(16)7-9-5-6-10(8-14)19(9)17/h2-4,9-10,16H,5-8H2,1H3
InChIKeyRCRIHMRNJAFOMZ-UHFFFAOYSA-N
XLogP2.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-oxo-3-(2,3,6-trifluorophenyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171962547
1-(2-fluoro-6-methoxyphenyl)cyclopropan-1-ol
CID 65434652
3-(2-fluorophenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171965109
3-(2-fluoro-6-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961471
3-(2,6-dimethylphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171958799
1-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropan-1-ol
CID 79333022
3-[(3-fluoro-4-methoxyphenyl)methyl]-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171955063
benzyl 3-(2-fluoro-6-methoxyphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171961464
8-oxo-3-(3,4,5-trimethoxyphenyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171956759
3-[3-methoxy-4-(trifluoromethyl)phenyl]-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171956959
methyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate
CID 170913631
1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone
CID 83808664

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol (CID 171961468) is 3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol is COc1cccc(F)c1C1(O)CC2CCC(C1)S2=O.
What is the InChIKey of 3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol?
The InChIKey is RCRIHMRNJAFOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3S/c1-18-12-4-2-3-11(15)13(12)14(16)7-9-5-6-10(8-14)19(9)17/h2-4,9-10,16H,5-8H2,1H3.
What are the key properties of 3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol?
3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol has a molecular weight of 284.35 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171961468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).